5-甲基-2-己烯酸乙酯
TL;DR: 5-甲基-2-己烯酸乙酯 (CAS 2351-89-5) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲基-2-己烯酸乙酯
ethyl 5-methylhex-2-enoate
Also Known As: Ethyl 5-methylhex-2-enoate, 2-Hexenoic acid, 5-methyl-, ethyl ester, 5-methyl-hex-2-enoic acid ethyl ester, 2-Hexenoic acid,5-methyl-, ethyl ester, 5-Methyl-2-hex-2-enoic Acid Ethyl Ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 2351-89-5 |
|---|---|
| SMILES | CCOC(=O)C=CCC(C)C |
| InChIKey | XBRGZVMBYLXWTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基-2-己烯酸乙酯 (CAS 2351-89-5), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: ethyl 5-methylhex-2-enoate.
Chemical Property Profile of 5-甲基-2-己烯酸乙酯
Property Insights of 5-甲基-2-己烯酸乙酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基-2-己烯酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 5-甲基-2-己烯酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-甲基-2-己烯酸乙酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-甲基-2-己烯酸乙酯?
The CAS number of 5-甲基-2-己烯酸乙酯 is 2351-89-5.
What is the molecular formula of 5-甲基-2-己烯酸乙酯?
The molecular formula of 5-甲基-2-己烯酸乙酯 is C9H16O2.
What is the molecular weight of 5-甲基-2-己烯酸乙酯?
The molecular weight of 5-甲基-2-己烯酸乙酯 is 156.12 g/mol.
Where can I buy 5-甲基-2-己烯酸乙酯?
You can request a quote for 5-甲基-2-己烯酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲基-2-己烯酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基-2-己烯酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.